SCHEMBL10004001

SCHEMBL10004001

CCOC(=O)c1c(OCC)c2c(=O)[nH]c(C)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10003985 0.89 PDE5A (0.36) MAPTHPGDGAAALDH1A1HSD17B10
SCHEMBL10004180 0.89 HPGD (0.39) MAPTHPGDGAAALDH1A1HSD17B10
SCHEMBL10004427 0.78 KDM4E (0.36) HPGDGAAALDH1A1HSD17B10KDM4E
SCHEMBL10004287 0.77 KMT2A (0.38) MAPTHPGDALDH1A1HSD17B10ALOX15
SCHEMBL10004450 0.76 KDM4E (0.43) HPGDGAAALDH1A1HSD17B10KDM4E
SCHEMBL10004958 0.75 HPGD (0.39) MAPTHPGDGAAALDH1A1HSD17B10
SCHEMBL10004424 0.75 HPGD (0.39) MAPTHPGDGAAALDH1A1HSD17B10
SCHEMBL10004091 0.75 CDK4 (0.35) HPGDALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL10004185 0.71 MAPT (0.58) MAPTHPGDGAAALDH1A1HSD17B10
SCHEMBL13343531 0.68 KDM4E (0.56) MAPTHPGDGAAALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH MAPT 4783/4885HPGD 539/4885GAA 3144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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